1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine

C14H20ClNO3S — CID 3057913

IUPAC1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)CCCN1CCCC1
InChIInChI=1S/C14H20ClNO3S/c1-19-13-6-5-12(15)11-14(13)20(17,18)10-4-9-16-7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyMKDMSOIAYHUOSR-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.61
Rot. Bonds6

About 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine

1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine (PubChem CID 3057913) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine
PubChem CID3057913
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)CCCN1CCCC1
InChIInChI=1S/C14H20ClNO3S/c1-19-13-6-5-12(15)11-14(13)20(17,18)10-4-9-16-7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyMKDMSOIAYHUOSR-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(2,5-dichlorophenyl)sulfonylethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
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3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43646650
methyl 5-chloro-2-methoxybenzenesulfonate
CID 89056294
5-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
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2-(5-chloro-2-methoxyphenyl)sulfonylpropan-2-amine
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4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine?
The IUPAC name of 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine (CID 3057913) is 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine.
What is the SMILES notation for 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine?
The canonical SMILES for 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine is COc1ccc(Cl)cc1S(=O)(=O)CCCN1CCCC1.
What is the InChIKey of 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine?
The InChIKey is MKDMSOIAYHUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-19-13-6-5-12(15)11-14(13)20(17,18)10-4-9-16-7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine?
1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine has a molecular weight of 317.84 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine is sourced from PubChem (CID 3057913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).